Detailed information for compound 1418254

Basic information

Technical information
  • TDR Targets ID: 1418254
  • Name: (2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrim idin-7-yl)methyl 4-[[2-(4-methylphenoxy)acety l]amino]benzoate
  • MW: 478.52 | Formula: C24H22N4O5S
  • H donors: 1 H acceptors: 3 LogP: 3.29 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nn2c(s1)nc(cc2=O)COC(=O)c1ccc(cc1)NC(=O)COc1ccc(cc1)C
  • InChi: 1S/C24H22N4O5S/c1-3-21-27-28-22(30)12-18(26-24(28)34-21)13-33-23(31)16-6-8-17(9-7-16)25-20(29)14-32-19-10-4-15(2)5-11-19/h4-12H,3,13-14H2,1-2H3,(H,25,29)
  • InChiKey: MPJXIBJPQUWSQG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[2-(4-methylphenoxy)-1-oxoethyl]amino]benzoic acid (2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl ester
  • 4-[[2-(4-methylphenoxy)acetyl]amino]benzoic acid (2-ethyl-5-keto-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl ester
  • (2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[2-(4-methylphenoxy)ethanoylamino]benzoate
  • G357-0529
  • NCGC00130684-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0286 0.0843 0.2928
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0829 0.287 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0233 0.0647 0.0644
Brugia malayi latrophilin 2 splice variant baaae 0.1305 0.4645 0.4643
Schistosoma mansoni chromosome transmission fidelity factor 0.0061 0.0003 0.0007
Loa Loa (eye worm) MH1 domain-containing protein 0.0083 0.0089 0.0089
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0286 0.0843 0.2928
Loa Loa (eye worm) hypothetical protein 0.0083 0.0089 0.0089
Entamoeba histolytica hypothetical protein 0.0152 0.0343 1
Brugia malayi glutaminase DH11.1 0.0271 0.0789 0.0786
Brugia malayi Probable ClpP-like protease 0.0829 0.287 0.2867
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0152 0.0343 0.0769
Loa Loa (eye worm) hypothetical protein 0.0604 0.203 0.203
Schistosoma mansoni topbp1 0.0061 0.0003 0.0007
Echinococcus granulosus smad 0.0187 0.0474 0.1066
Schistosoma mansoni smad1 5 8 and 0.0187 0.0474 0.102
Loa Loa (eye worm) transcription factor SMAD2 0.2741 1 1
Schistosoma mansoni tar DNA-binding protein 0.1243 0.4415 0.9505
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0359 0.1117 0.5504
Schistosoma mansoni peptidase Clp (S14 family) 0.0829 0.287 0.6178
Schistosoma mansoni hypothetical protein 0.0604 0.203 0.4371
Mycobacterium ulcerans glutaminase 0.0271 0.0789 0.2741
Echinococcus granulosus mothers against decapentaplegic 2 0.0083 0.0089 0.0193
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0829 0.287 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0233 0.0647 0.146
Schistosoma mansoni smad1 5 8 and 0.0187 0.0474 0.102
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0187 0.0474 0.102
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0233 0.0647 0.146
Brugia malayi MH2 domain containing protein 0.0187 0.0474 0.047
Loa Loa (eye worm) hypothetical protein 0.0061 0.0003 0.0003
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0829 0.287 1
Echinococcus granulosus GPCR family 2 0.0604 0.203 0.4594
Brugia malayi MH1 domain containing protein 0.0103 0.0162 0.0159
Echinococcus multilocularis tumor protein p63 0.0408 0.1299 0.2937
Loa Loa (eye worm) hypothetical protein 0.0061 0.0003 0.0003
Entamoeba histolytica hypothetical protein 0.0152 0.0343 1
Schistosoma mansoni smad 0.0187 0.0474 0.102
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0829 0.287 0.6497
Brugia malayi MH1 domain containing protein 0.0187 0.0474 0.047
Loa Loa (eye worm) nuclear factor I 0.0103 0.0162 0.0162
Brugia malayi hypothetical protein 0.044 0.142 0.1417
Echinococcus multilocularis GPCR, family 2 0.0604 0.203 0.4594
Loa Loa (eye worm) glutaminase 0.0271 0.0789 0.0789
Toxoplasma gondii hypothetical protein 0.0286 0.0843 0.2928
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0197 0.0514 0.1157
Plasmodium vivax ataxin-2 like protein, putative 0.044 0.142 0.4941
Brugia malayi RNA binding protein 0.1243 0.4415 0.4413
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0286 0.0843 0.2928
Loa Loa (eye worm) MH1 domain-containing protein 0.0187 0.0474 0.0474
Echinococcus granulosus mothers against decapentaplegic 5 0.0187 0.0474 0.1066
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0543 0.1804 0.5
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0286 0.0843 0.2928
Echinococcus multilocularis mothers against decapentaplegic 2 0.0083 0.0089 0.0193
Echinococcus multilocularis peptidase Clp (S14 family) 0.0543 0.1804 0.4082
Echinococcus multilocularis Smad4 0.0187 0.0474 0.1066
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0829 0.287 1
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0083 0.0089 0.0436
Brugia malayi mothers against decapentaplegic homolog 3 0.0083 0.0089 0.0085
Echinococcus multilocularis smad 0.0187 0.0474 0.1066
Schistosoma mansoni tar DNA-binding protein 0.1243 0.4415 0.9505
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0233 0.0647 0.1394
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0604 0.203 0.4594
Brugia malayi hypothetical protein 0.0152 0.0343 0.0339
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0543 0.1804 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0233 0.0647 0.146
Schistosoma mansoni DNA ligase IV 0.0061 0.0003 0.0007
Loa Loa (eye worm) hypothetical protein 0.1305 0.4645 0.4645
Echinococcus multilocularis mothers against decapentaplegic 6 0.0083 0.0089 0.0193
Entamoeba histolytica hypothetical protein 0.0152 0.0343 1
Brugia malayi N-terminal motif family protein 0.0359 0.1117 0.1114
Onchocerca volvulus 0.0061 0.0003 0.0017
Loa Loa (eye worm) hypothetical protein 0.0604 0.203 0.203
Schistosoma mansoni hypothetical protein 0.0604 0.203 0.4371
Loa Loa (eye worm) hypothetical protein 0.044 0.142 0.142
Brugia malayi MH2 domain containing protein 0.0083 0.0089 0.0085
Loa Loa (eye worm) hypothetical protein 0.0061 0.0003 0.0003
Trypanosoma brucei PAB1-binding protein , putative 0.044 0.142 1
Trypanosoma cruzi PAB1-binding protein , putative 0.044 0.142 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0233 0.0647 0.0647
Loa Loa (eye worm) Smad1 0.0187 0.0474 0.0474
Brugia malayi hypothetical protein 0.0284 0.0838 0.0834
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0152 0.0343 0.0769
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0829 0.287 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0003 0.0003
Loa Loa (eye worm) RNA binding protein 0.1243 0.4415 0.4415
Brugia malayi RNA recognition motif domain containing protein 0.1243 0.4415 0.4413
Echinococcus granulosus peptidase Clp S14 family 0.0543 0.1804 0.4082
Loa Loa (eye worm) MH2 domain-containing protein 0.0187 0.0474 0.0474
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0604 0.203 0.4594
Loa Loa (eye worm) TAR-binding protein 0.1243 0.4415 0.4415
Echinococcus multilocularis mothers against decapentaplegic 5 0.0187 0.0474 0.1066
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0604 0.203 0.2028
Plasmodium falciparum ataxin-2 like protein, putative 0.044 0.142 0.4941
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0829 0.287 1
Loa Loa (eye worm) hypothetical protein 0.1909 0.6898 0.6898
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0829 0.287 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.0003 0.0003
Schistosoma mansoni topbp1 0.0061 0.0003 0.0007
Loa Loa (eye worm) hypothetical protein 0.0829 0.287 0.287
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1909 0.6898 0.6898
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0543 0.1804 0.6283
Schistosoma mansoni smad1 5 8 and 0.0187 0.0474 0.102
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0233 0.0647 0.146
Entamoeba histolytica hypothetical protein 0.0152 0.0343 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0604 0.203 0.4594
Echinococcus granulosus Smad4 0.0187 0.0474 0.1066
Brugia malayi TAR-binding protein 0.1243 0.4415 0.4413
Onchocerca volvulus 0.0604 0.203 1
Schistosoma mansoni Smad4 0.0083 0.0089 0.0191
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0197 0.0514 0.1157
Toxoplasma gondii LsmAD domain-containing protein 0.044 0.142 0.4941
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0829 0.287 0.6497
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1909 0.6898 0.6897
Schistosoma mansoni hypothetical protein 0.0197 0.0514 0.1106
Brugia malayi Latrophilin receptor protein 2 0.0604 0.203 0.2028
Brugia malayi MH1 domain containing protein 0.0187 0.0474 0.047
Echinococcus granulosus mothers against decapentaplegic 6 0.0083 0.0089 0.0193
Loa Loa (eye worm) MH2 domain-containing protein 0.2741 1 1
Schistosoma mansoni tar DNA-binding protein 0.1243 0.4415 0.9505
Loa Loa (eye worm) MH2 domain-containing protein 0.0083 0.0089 0.0089
Giardia lamblia Replication factor C, subunit 1 0.0061 0.0003 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0829 0.287 1
Schistosoma mansoni Smad4 0.0083 0.0089 0.0191
Schistosoma mansoni hypothetical protein 0.0604 0.203 0.4371
Brugia malayi MH1 domain containing protein 0.0103 0.0162 0.0159
Leishmania major hypothetical protein, conserved 0.044 0.142 0.5
Schistosoma mansoni glutaminase 0.0271 0.0789 0.1699
Loa Loa (eye worm) hypothetical protein 0.0103 0.0162 0.0162
Loa Loa (eye worm) glutaminase 2 0.0271 0.0789 0.0789
Schistosoma mansoni tar DNA-binding protein 0.1243 0.4415 0.9505
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0829 0.287 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0233 0.0647 0.1394
Schistosoma mansoni smad 0.0083 0.0089 0.0191
Trichomonas vaginalis glutaminase, putative 0.0271 0.0789 1
Loa Loa (eye worm) hypothetical protein 0.0359 0.1117 0.1117
Echinococcus granulosus TGF beta signal transducer SmadC 0.0187 0.0474 0.1066
Plasmodium falciparum ataxin-2 like protein, putative 0.044 0.142 0.4941
Loa Loa (eye worm) hypothetical protein 0.0061 0.0003 0.0003
Schistosoma mansoni hypothetical protein 0.1305 0.4645 1
Echinococcus granulosus tumor protein p63 0.0408 0.1299 0.2937
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1243 0.4415 0.4415
Schistosoma mansoni tar DNA-binding protein 0.1243 0.4415 0.9505
Echinococcus granulosus tar DNA binding protein 0.1243 0.4415 1
Brugia malayi MH2 domain containing protein 0.0187 0.0474 0.047
Brugia malayi Calcitonin receptor-like protein seb-1 0.1909 0.6898 0.6897
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0829 0.287 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0829 0.287 1
Schistosoma mansoni hypothetical protein 0.0152 0.0343 0.0738
Schistosoma mansoni hypothetical protein 0.0604 0.203 0.4371
Trypanosoma cruzi PAB1-binding protein , putative 0.044 0.142 1
Schistosoma mansoni transcription factor LCR-F1 0.0152 0.0343 0.0738
Brugia malayi hypothetical protein 0.0604 0.203 0.2027
Loa Loa (eye worm) latrophilin receptor protein 2 0.0604 0.203 0.203
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0233 0.0647 0.1394
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0604 0.203 0.4594
Echinococcus multilocularis tar DNA binding protein 0.1243 0.4415 1
Schistosoma mansoni Smad4 0.0187 0.0474 0.102
Brugia malayi Smad1 0.0187 0.0474 0.047
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0187 0.0474 0.1066

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.